3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C19H18N2O2 — CID 138533678

IUPAC3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCNC(=O)c1cc(C)cc2c1OCC2c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c1-11-7-13-16(10-23-18(13)14(8-11)19(22)20-2)15-9-21-17-6-4-3-5-12(15)17/h3-9,16,21H,10H2,1-2H3,(H,20,22)
InChIKeyIHFRAJOGZVMEFE-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.36
Rot. Bonds2

About 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 138533678) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID138533678
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCNC(=O)c1cc(C)cc2c1OCC2c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O2/c1-11-7-13-16(10-23-18(13)14(8-11)19(22)20-2)15-9-21-17-6-4-3-5-12(15)17/h3-9,16,21H,10H2,1-2H3,(H,20,22)
InChIKeyIHFRAJOGZVMEFE-UHFFFAOYSA-N
XLogP3.36
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-4-yl)-7-(methylcarbamoyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 138523726
(3S)-5-N,7-N-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 164609742
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
CID 84543848
(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887103
4-[(E)-3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002182
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47381407
N,4,6-trimethyl-1H-indole-3-carboxamide
CID 118475596
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 138533678) is 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CNC(=O)c1cc(C)cc2c1OCC2c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is IHFRAJOGZVMEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-7-13-16(10-23-18(13)14(8-11)19(22)20-2)15-9-21-17-6-4-3-5-12(15)17/h3-9,16,21H,10H2,1-2H3,(H,20,22).
What are the key properties of 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 138533678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).